SCHEMBL29852004

SCHEMBL29852004

O=C(CCC1CCCCC(=O)O1)OCCO

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
MGLL Q99685 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PRKCA P17252 6/20 0.31
KLK7 P49862 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29851926 0.91 PRKCA (0.36) CYP1A2POLBLMNAMGLLPRKCA
SCHEMBL29852058 0.86 CYP1A2 (0.35) CYP1A2POLBLMNAMGLLALDH1A1
SCHEMBL29852020 0.84 ALDH1A1 (0.32) CYP1A2POLBLMNAMGLLALDH1A1
SCHEMBL29852086 0.82 HSD17B10 (0.38) CYP1A2POLBLMNAALDH1A1PRKCA
SCHEMBL29852059 0.77 CYP1A2 (0.40) CYP1A2ALDH1A1
SCHEMBL29851916 0.77 KLK7 (0.31) CYP1A2KLK7
SCHEMBL29851943 0.76 CYP1A2 (0.39) CYP1A2LMNAALDH1A1
SCHEMBL7399173 0.76 CYP1A2 (0.41) CYP1A2ALDH1A1
SCHEMBL3286245 0.76 CYP1A2 (0.41) CYP1A2
SCHEMBL29851897 0.75 KDM4E (0.50) POLBLMNAALDH1A1KLK7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022207923-A1 SUBSTITUTED LACTONES, POLYMERS THEREOF, AND PROCESSES FOR PREPARING SAME SCE FRANCE (FR) 2022-10-06 WO disclosed